Indira Shrivastava

Indira Shrivastava, Ph.D.
Research Assistant Professor

Ph.D. University of Pune, Chemistry

3501 Fifth Avenue
3089 Biomedical Science Tower 3
Pittsburgh PA 15260

Phone: 412-383-5806
Website: /People/indira/

Research Summary

I am interested in analyzing the functional dynamics of biomolecular complexes, molecular modeling and simulation approaches. The computational models, I employ include elastic network models (ANM/GNM), Molecular Dynamics (MD) simulations, and Quantum chemical (QM) calculations. The aim is to analyze the 3-D structure of the protein, and its interactions with ligands and/or environment, as a function of space and time. The environment is always water molecules, and may include lipid bilayer, if the biomolecule happens to be a membrane protein. While the amplitudes of motions accessed by biomolecules range from Angstrom to nanometers, the timescales range from picoseconds to micro or even milliseconds. Considering the wide spatio-temporal ranges, it is not practical, to analyze structural dynamics using any single computational model. A judicious approach would be to apply a combination of multi-level computational models. I thus endeavor to help interpret experiments at an atomic level detail and suggest novel experiments, essentially supplementing existing knowledge.

Recent Publications

Gasanov SE, Shrivastava IH, Israilov FS, Kim AA, Rylova KA, Zhang B, Dagda RK (2015) Naja naja oxiana Cobra Venom Cytotoxins CTI and CTII Disrupt Mitochondrial Membrane Integrity: Implications for Basic Three-Fingered Cytotoxins PLoS One 10(6):e0129248.

Uchida H, Chan J, Shrivastava I, Reinhart B, Grandi P, Glorioso JC, Cohen JB (2013) Novel mutations in gB and gH circumvent the requirement for known gD Receptors in herpes simplex virus 1 entry and cell-to-cell spread J Virol. 87(3):1430-42.

Chu CT, Ji J, Dagda RK, Jiang JF, Tyurina YY, Kapralov AA, Tyurin VA, Yanamala N, Shrivastava I.H, Mohammadyani D, Wang KZQ, Zhu J, Klein-Seetharaman J, Balasubramanian K, Amoscato AA, Borisenko G, Huang Z, Gusdon AM, Cheikhi A, Steer EK, Wang R, Baty C, Watkins S, Bahar I, Bayir H, Kagan VE (2013) Cardiolipin externalization to the outer mitochondrial membrane acts as an elimination signal for mitophagy in neuronal cells Nature Cell Biology  15, 1197-1205.